2-[4-methoxycarbonyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[4-methoxycarbonyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid Openeye Name: 2-(4-methoxycarbonyl-1,3-dioxo-4-isoquinolyl)acetic acid CAS Name: 2-(4-methoxycarbonyl-1,3-dioxo-4-isoquinolinyl)acetic acid IUPAC Name: 2-(4-methoxycarbonyl-1,3-dioxoisoquinolin-4-yl)acetic acid Traditional Name: 2-(4-carbomethoxy-1,3-diketo-4-isoquinolyl)acetic acid Formula: C13H11NO6 MolecularWeight: 277.22954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=CC=CC=C2C(=O)NC1=O)CC(=O)O

Isomeric SMILES

COC(=O)C1(C2=CC=CC=C2C(=O)NC1=O)CC(=O)O

InChI

InChI=1S/C13H11NO6/c1-20-12(19)13(6-9(15)16)8-5-3-2-4-7(8)10(17)14-11(13)18/h2-5H,6H2,1H3,(H,15,16)(H,14,17,18)